Kooijman S A L M, Baas J, Bontje D, Broerse M, Jager T, Van Gestel C A M, Van Hattum B
Faculty Earth & Life Sciences, Vrije Universiteit, 1081 HV, Amsterdam, The Netherlands.
SAR QSAR Environ Res. 2007 May-Jun;18(3-4):315-30. doi: 10.1080/10629360701304196.
The LC(50) of compounds with a similar biological effect, at a given exposure period, is frequently plotted log-log against the octanol-water partition coefficient and a straight line is fitted for interpolation purposes. This is also frequently done for physiological properties, such as the weight-specific respiration rate, as function of the body weight of individuals. This paper focuses on the remarkable observation that theoretical explanations for these relationships also have strong similarities. Both can be understood as result of the covariation of the values of parameters of models of a particular type for the underlying processes, while this covariation follows logically from the model structure. The one-compartment model for the uptake and elimination of compounds by organisms is basic to the BioConcentration Factor (BCF), or the partition coefficient; the standard Dynamic Energy Budget model is basic to the (ultimate) body size. The BCF is the ratio of the uptake and the elimination rates; the maximum body length is the ratio of the assimilation (i.e. uptake of resources) and the maintenance (i.e. use of resources) rates. This paper discusses some shortcomings of descriptive approaches and conceptual aspects of theoretical explanations. The strength of the theory is in the combination of why metabolic transformation depends both on the BCF and the body size. We illustrate the application of the theory with several data sets from the literature.
在给定暴露期内，具有相似生物效应的化合物的半数致死浓度（LC(50)）通常与正辛醇 - 水分配系数以对数 - 对数形式绘制，并且为了插值目的拟合一条直线。对于生理特性，例如作为个体体重函数的重量特异性呼吸速率，也经常这样做。本文重点关注一个显著的观察结果，即对这些关系的理论解释也有很强的相似性。两者都可以理解为基础过程特定类型模型参数值协变的结果，而这种协变从模型结构逻辑推导得出。生物体对化合物摄取和消除的单室模型是生物富集因子（BCF）或分配系数的基础；标准动态能量收支模型是（最终）体型的基础。BCF是摄取率与消除率的比值；最大体长是同化率（即资源摄取率）与维持率（即资源利用率）的比值。本文讨论了描述性方法的一些缺点以及理论解释的概念方面。该理论的优势在于结合了代谢转化为何既取决于BCF又取决于体型的原因。我们用文献中的几个数据集说明了该理论的应用。
